Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40198718

Structure

InChI Key UWSIMPSCFKSEFA-UHFFFAOYSA-N
Smiles CN(C)CCN(C)CCN1CCN(C)CC1
InChI
InChI=1S/C12H28N4/c1-13(2)5-6-14(3)7-10-16-11-8-15(4)9-12-16/h5-12H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H28N4
Molecular Weight 228.23
AlogP -0.27
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 12.96
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 50679-12-4
NORMAN SUSDAT
PubChem 3016546
ChemSpider 2284477.0